1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenylethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-yl-1,4-diazepan-1-yl)-2-phenyl-ethanone Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4OC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O2/c30-25(19-20-9-2-1-3-10-20)28-15-8-16-29(18-17-28)26-21-11-4-6-13-23(21)31-24-14-7-5-12-22(24)27-26/h1-7,9-14H,8,15-19H2